SCHEMBL8503412

SCHEMBL8503412

Cc1cc(C(=O)c2ccccn2)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ HSD17B14 Q9BPX1 1/20 0.55
▸ MAPT P10636 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ P4HTM Q9NXG6 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TLR7 Q9NYK1 1/20 0.46
▸ GRM4 Q14833 2/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27652216 0.88 KMT2A (0.56) KMT2AHSD17B14MAPTNPC1RAB9A
SCHEMBL15100977 0.82 KMT2A (0.56) KMT2AHSD17B14MAPTNPC1RAB9A
SCHEMBL28335196 0.79 KMT2A (0.65) KMT2AHSD17B14MAPTNPC1RAB9A
SCHEMBL7079612 0.79 KMT2A (0.65) KMT2AHSD17B14MAPTNPC1RAB9A
SCHEMBL30753851 0.79 KMT2A (0.56) KMT2AHSD17B14MAPTNPC1RAB9A
SCHEMBL27581493 0.78 HTT (0.53) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL1128807 0.77 HPGD (0.58) KMT2ANPC1RAB9ALMNAL3MBTL1
SCHEMBL29485021 0.77 KMT2A (0.72) KMT2AHSD17B14MAPTNPC1RAB9A
SCHEMBL743166 0.77 KMT2A (0.72) KMT2AHSD17B14MAPTNPC1RAB9A
SCHEMBL1156133 0.77 KMT2A (0.72) KMT2AHSD17B14MAPTNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888357-A1 AZASPIRO DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-01-07 — — EP disclosed
WO-1997034900-A1 AZASPIRO DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1997-09-25 — — WO disclosed
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